N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C18H26N4O2 — CID 121279649

IUPACN-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1)C1CC1
InChIInChI=1S/C18H26N4O2/c23-17(13-6-7-13)19-14-8-9-22(11-14)18(24)16-10-15(20-21-16)12-4-2-1-3-5-12/h10,12-14H,1-9,11H2,(H,19,23)(H,20,21)
InChIKeyGCVWZBZRVZWTBZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 121279649) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID121279649
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1)C1CC1
InChIInChI=1S/C18H26N4O2/c23-17(13-6-7-13)19-14-8-9-22(11-14)18(24)16-10-15(20-21-16)12-4-2-1-3-5-12/h10,12-14H,1-9,11H2,(H,19,23)(H,20,21)
InChIKeyGCVWZBZRVZWTBZ-UHFFFAOYSA-N
XLogP2.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 121279649) is N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1)C1CC1.
What is the InChIKey of N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is GCVWZBZRVZWTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(13-6-7-13)19-14-8-9-22(11-14)18(24)16-10-15(20-21-16)12-4-2-1-3-5-12/h10,12-14H,1-9,11H2,(H,19,23)(H,20,21).
What are the key properties of N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclohexyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121279649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).